Methyl 3-(2-acetylthiomethyl-propionamido)-picolinate
TL;DR: Methyl 3-(2-acetylthiomethyl-propionamido)-picolinate (CAS 91702-96-4) is a chemical compound with molecular formula C13H16N2O4S and molecular weight 296.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[(3-acetylsulfanyl-2-methylpropanoyl)amino]pyridine-2-carboxylate
Also Known As: Methyl 3-(2-acetylthiomethylpropionamido)picolinate, methyl 3-(2-acetylthiomethyl-propionamido)-picolinate, methyl 3-[(3-acetylsulfanyl-2-methylpropanoyl)amino]pyridine-2-carboxylate
| Molecular Formula | C13H16N2O4S |
|---|---|
| Molecular Weight | 296.08 g/mol |
| LogP | 1.7225 |
| Topological Polar Surface Area | 85.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 296.08307 |
| Heavy Atoms | 20 |
| Complexity | 518.84753 |
Chemical Identifiers
| CAS Number | 91702-96-4 |
|---|---|
| SMILES | CC(CSC(=O)C)C(=O)NC1=C(N=CC=C1)C(=O)OC |
Product Overview
Methyl 3-(2-acetylthiomethyl-propionamido)-picolinate (CAS 91702-96-4), with molecular formula C13H16N2O4S and molecular weight 296.08 g/mol. IUPAC: methyl 3-[(3-acetylsulfanyl-2-methylpropanoyl)amino]pyridine-2-carboxylate.
Chemical Property Profile of Methyl 3-(2-acetylthiomethyl-propionamido)-picolinate
Property Insights of Methyl 3-(2-acetylthiomethyl-propionamido)-picolinate
The XLogP value of 1.7225 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-(2-acetylthiomethyl-propionamido)-picolinate. The TPSA of 85.36 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-(2-acetylthiomethyl-propionamido)-picolinate. Following Lipinski's Rule of Five, Methyl 3-(2-acetylthiomethyl-propionamido)-picolinate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methyl 3-(2-acetylthiomethyl-propionamido)-picolinate?
The CAS number of Methyl 3-(2-acetylthiomethyl-propionamido)-picolinate is 91702-96-4.
What is the molecular formula of Methyl 3-(2-acetylthiomethyl-propionamido)-picolinate?
The molecular formula of Methyl 3-(2-acetylthiomethyl-propionamido)-picolinate is C13H16N2O4S.
What is the molecular weight of Methyl 3-(2-acetylthiomethyl-propionamido)-picolinate?
The molecular weight of Methyl 3-(2-acetylthiomethyl-propionamido)-picolinate is 296.08 g/mol.
Where can I buy Methyl 3-(2-acetylthiomethyl-propionamido)-picolinate?
You can request a quote for Methyl 3-(2-acetylthiomethyl-propionamido)-picolinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-(2-acetylthiomethyl-propionamido)-picolinate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-(2-acetylthiomethyl-propionamido)-picolinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.